2-[(1R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxocyclopentyl]acetaldehyde

C14H26O3Si — CID 11108425

IUPAC2-[(1R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxocyclopentyl]acetaldehyde
SMILESCC(C)(C)[Si](C)(C)OC[C@]1(CC=O)CCCC1=O
InChIInChI=1S/C14H26O3Si/c1-13(2,3)18(4,5)17-11-14(9-10-15)8-6-7-12(14)16/h10H,6-9,11H2,1-5H3/t14-/m1/s1
InChIKeyHBPPNHJLGUAFGD-CQSZACIVSA-N
MW270.44 g/mol
LogP3.34
Rot. Bonds5

About 2-[(1R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxocyclopentyl]acetaldehyde

2-[(1R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxocyclopentyl]acetaldehyde (PubChem CID 11108425) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is 2-[(1R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxocyclopentyl]acetaldehyde.

Molecular Properties

Compound Name2-[(1R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxocyclopentyl]acetaldehyde
PubChem CID11108425
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Name2-[(1R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxocyclopentyl]acetaldehyde
SMILESCC(C)(C)[Si](C)(C)OC[C@]1(CC=O)CCCC1=O
InChIInChI=1S/C14H26O3Si/c1-13(2,3)18(4,5)17-11-14(9-10-15)8-6-7-12(14)16/h10H,6-9,11H2,1-5H3/t14-/m1/s1
InChIKeyHBPPNHJLGUAFGD-CQSZACIVSA-N
XLogP3.34
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxocyclopentyl]acetaldehyde?
The IUPAC name of 2-[(1R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxocyclopentyl]acetaldehyde (CID 11108425) is 2-[(1R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxocyclopentyl]acetaldehyde.
What is the SMILES notation for 2-[(1R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxocyclopentyl]acetaldehyde?
The canonical SMILES for 2-[(1R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxocyclopentyl]acetaldehyde is CC(C)(C)[Si](C)(C)OC[C@]1(CC=O)CCCC1=O.
What is the InChIKey of 2-[(1R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxocyclopentyl]acetaldehyde?
The InChIKey is HBPPNHJLGUAFGD-CQSZACIVSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-13(2,3)18(4,5)17-11-14(9-10-15)8-6-7-12(14)16/h10H,6-9,11H2,1-5H3/t14-/m1/s1.
What are the key properties of 2-[(1R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxocyclopentyl]acetaldehyde?
2-[(1R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxocyclopentyl]acetaldehyde has a molecular weight of 270.44 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxocyclopentyl]acetaldehyde is sourced from PubChem (CID 11108425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).